SCHEMBL331607

SCHEMBL331607

COC(=O)c1nn(CCOCCCF)c(C(=O)O)c1[N+](=O)[O-]

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.36
KMT2A Q03164 5/20 0.36
ALDH1A1 P00352 2/20 0.33
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HTT P42858 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL331689 0.90 SMN1; SMN2 (0.38) MEN1KMT2AALDH1A1CNR1CNR2
SCHEMBL333010 0.87 MEN1 (0.38) MEN1KMT2AALDH1A1CNR1CNR2
SCHEMBL332743 0.86 MEN1 (0.41) MEN1KMT2AALDH1A1CNR1CNR2
SCHEMBL331756 0.86 MEN1 (0.35) MEN1KMT2AALDH1A1CNR1CNR2
SCHEMBL331457 0.84 MEN1 (0.36) MEN1KMT2AALDH1A1CNR1CNR2
SCHEMBL332681 0.84 MEN1 (0.36) MEN1KMT2AALDH1A1CNR1CNR2
SCHEMBL13094114 0.82
SCHEMBL8295297 0.81 SMN1; SMN2 (0.31) SMN1; SMN2
SCHEMBL331565 0.81 KMT2A (0.38) MEN1KMT2AALDH1A1CNR1CNR2
SCHEMBL10252097 0.80 MEN1 (0.39) MEN1KMT2AALDH1A1CNR1CNR2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8097621-B2 Pyrazolo[4,3-d]pyrimidines as phosphodiesterase inhibitors PFIZER INC. (US) 2012-01-17 US disclosed
US-8097621-B2 Pyrazolo[4,3-d]pyrimidines as phosphodiesterase inhibitors PFIZER INC. (US) 2012-01-17 US disclosed
EP-1689751-B1 5,7-DIAMINOPYRAZOLO[4,3-D]PYRIMIDINES WITH PDE-5 INHIBITING ACTIVITY PFIZER LTD (GB) 2010-10-20 EP disclosed
US-20090247539-A1 Novel Pharmaceuticals PFIZER INC 2009-10-01 US disclosed
US-20090247539-A1 Novel Pharmaceuticals PFIZER INC 2009-10-01 US disclosed
US-7572799-B2 Pyrazolo[4,3-d]pyrimidines as Phosphodiesterase Inhibitors PFIZER INC (US) 2009-08-11 US disclosed
US-7572799-B2 Pyrazolo[4,3-d]pyrimidines as Phosphodiesterase Inhibitors PFIZER INC (US) 2009-08-11 US disclosed
US-20050245544-A1 Novel pharmaceuticals AMPLIFIED PROTEOMICS INC. 2005-11-03 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050245544-A1 Novel pharmaceuticals ABCB11, PCSK9, SLC10A1 MEN1 702/4885KMT2A 4632/4885ALDH1A1 851/4885
US-20090247539-A1 Novel Pharmaceuticals ABCB11, PCSK9, SLC10A1 MEN1 702/4885KMT2A 4632/4885ALDH1A1 851/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.